N-ethyl-1-methyl-5-nitropyrrole-2-carboxamide

C8H11N3O3 — CID 163838410

IUPACN-ethyl-1-methyl-5-nitropyrrole-2-carboxamide
SMILESCCNC(=O)c1ccc([N+](=O)[O-])n1C
InChIInChI=1S/C8H11N3O3/c1-3-9-8(12)6-4-5-7(10(6)2)11(13)14/h4-5H,3H2,1-2H3,(H,9,12)
InChIKeyOJUNMKDHFVWFQP-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.68
Rot. Bonds3

About N-ethyl-1-methyl-5-nitropyrrole-2-carboxamide

N-ethyl-1-methyl-5-nitropyrrole-2-carboxamide (PubChem CID 163838410) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-ethyl-1-methyl-5-nitropyrrole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-5-nitropyrrole-2-carboxamide
PubChem CID163838410
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN-ethyl-1-methyl-5-nitropyrrole-2-carboxamide
SMILESCCNC(=O)c1ccc([N+](=O)[O-])n1C
InChIInChI=1S/C8H11N3O3/c1-3-9-8(12)6-4-5-7(10(6)2)11(13)14/h4-5H,3H2,1-2H3,(H,9,12)
InChIKeyOJUNMKDHFVWFQP-UHFFFAOYSA-N
XLogP0.68
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 160655
CID 160655
CID 36066
CID 36066
CID 14487174
CID 14487174
CID 14487175
CID 14487175
CID 45259306
CID 45259306
CID 90071685
CID 90071685
CID 90071689
CID 90071689
CID 117802819
CID 117802819
CID 12345442
CID 12345442
CID 43082591
CID 43082591
CID 43246955
CID 43246955
CID 43600147
CID 43600147

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-5-nitropyrrole-2-carboxamide?
The IUPAC name of N-ethyl-1-methyl-5-nitropyrrole-2-carboxamide (CID 163838410) is N-ethyl-1-methyl-5-nitropyrrole-2-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-5-nitropyrrole-2-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-5-nitropyrrole-2-carboxamide is CCNC(=O)c1ccc([N+](=O)[O-])n1C.
What is the InChIKey of N-ethyl-1-methyl-5-nitropyrrole-2-carboxamide?
The InChIKey is OJUNMKDHFVWFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-3-9-8(12)6-4-5-7(10(6)2)11(13)14/h4-5H,3H2,1-2H3,(H,9,12).
What are the key properties of N-ethyl-1-methyl-5-nitropyrrole-2-carboxamide?
N-ethyl-1-methyl-5-nitropyrrole-2-carboxamide has a molecular weight of 197.19 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-5-nitropyrrole-2-carboxamide is sourced from PubChem (CID 163838410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).